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1-[3-[2-(2,6-dichlorobenzyl)oxyphenyl]-4-[4-(diethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID LU7iWh4RsYw
InChI InChI=1S/C33H32Cl2N4O2/c1-4-37(5-2)24-18-20-25(21-19-24)38-32(23(3)40)36-39(26-12-7-6-8-13-26)33(38)27-14-9-10-17-31(27)41-22-28-29(34)15-11-16-30(28)35/h6-21,33H,4-5,22H2,1-3H3
InChIKey YHKVGVQRVZHFQN-UHFFFAOYSA-N
Mol Weight 587.6 g/mol
Molecular Formula C33H32Cl2N4O2
Exact Mass 586.190232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE6gXUE6K1m
Name 1-[3-[2-(2,6-dichlorobenzyl)oxyphenyl]-4-[4-(diethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32Cl2N4O2
InChI InChI=1S/C33H32Cl2N4O2/c1-4-37(5-2)24-18-20-25(21-19-24)38-32(23(3)40)36-39(26-12-7-6-8-13-26)33(38)27-14-9-10-17-31(27)41-22-28-29(34)15-11-16-30(28)35/h6-21,33H,4-5,22H2,1-3H3
InChIKey YHKVGVQRVZHFQN-UHFFFAOYSA-N
Molecular Weight 587.551 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)N(CC)CC)c2c(OCc3c(Cl)cccc3Cl)cccc2)cc1
SPLASH splash10-000i-3913010000-e24093e2e1d3ed913d2c
Synonyms 1-[3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-4-[4-(diethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-4-[4-(diethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1437394